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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL203637
CHEMBL203637
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H20ClNO

Additional synonyms for CHEMBL203637 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2ccccc2Cc3ccc(O)c(Cl)c3CC1
Standard InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17 ...
Download InChI
Standard InChI Key KRGBBAYNHOEQOO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL203637

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
301.8 301.1233 3.67 0 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.54 8.78 4.08 2.71 2 21 0.8

Structural Alerts

There are no structural alerts for CHEMBL203637

Compound Cross References

ChemSpider ChemSpider:KRGBBAYNHOEQOO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL203637



BindingDB 50184428
PubChem 11681599
PubChem: Thomson Pharma 17499210
ZINC ZINC000013684087

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KRGBBAYNHOEQOO-UHFFFAOYSA-N spacer
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